Tag: M.W=150-200

Strop, P. published the artcileSeparation of alkyl derivatives of uracil by solvophobic adsorption chromatography on Spheron, Safety of 5-N-Propyluracil, the main research area is uracil derivative chromatog; pyrimidine derivative chromatog.

Derivatives of such related substances as cytosine, uracil, thymine, 6-methyluracil, 5-ethyluracil, 5-propyluracil, 5-isopropyluracil, 5-cyclopropyluracil, 5-allyluracil, 5,6-trimethyleneuracil, 6-cyclopropyluracil, 5-cyclobutyluracil and 5-tert-butyluracil were separated on a column of Spheron P-300. Retention on the column was found to depend on the size of the nonpolar part of the mol. The chromatog. behavior was analyzed according to the theory of solvophobic chromatog.

Journal of Chromatography published new progress about Liquid chromatography. 19030-75-2 belongs to class pyrimidines, name is 5-N-Propyluracil, and the molecular formula is C7H10N2O2, Safety of 5-N-Propyluracil.

Referemce:
Pyrimidine | C4H4N2 – PubChem,
Pyrimidine – Wikipedia

Budesinsky, Zdenek published the artcileNucleophilic substitutions in the 2-methane sulfonylpyrimidine series, Recommanded Product: 5-Chloro-2-(methylthio)pyrimidine, the main research area is pyrimidine methanesulfonyl methoxide; methoxy cyano pyrimidine; sweet taste pyrimidine; oxidation methylthiopyrimidine.

Oxidation of 5-substituted 2-methylthiopyrimidines gave the 2-methylsulfonyl derivatives, the nucleophilic substitution of which with NaOMe, N2H4, PhCH2NH2, NaCN, NaSH, and NaCH(CN)CO2Me gave the appropriate 5-substituted 2-methoxy-, 2-mercapto-, 2-hydrazino, 2-benzylamino-, 2-cyano-, and 2-(methoxycarbonylcyano-methyl)pyrimidine. 2-Methylsulfonyl-5-fluoropyrimidine (I) treated at 0° with NaOMe gave 2-methoxy-5-fluoropyrimidine but at a higher temperature and with excess NaOMe, 2,5-dimethoxypyrimidine was formed. I and N2H4 gave 5-hydrazino-2-meth-ylsulfonylpyrimidine. 5-Benzylamino-2-methylsulfonylpyri-midine was prepared analogously. At 10-20°, the reaction of 2 methylsulfonyl-5-halo(fluoro, chloro, bromo)pyrimidines with-NaCN gave the 2-cyano derivatives but at a higher temperature, 2-cyano-5-methylsulfonylpyrimidine was formed. 2-Cyano-5-methylpyrimidine, 2-cyano-5-methoxypyrimidine, 2-cyano-5-fluoropyrimidine, 2-cyano-5-chloropyrimidine, and 2-cyano-5-bromopyrimidine exhibited an intensive sweet taste.

Collection of Czechoslovak Chemical Communications published new progress about Substitution reaction. 38275-42-2 belongs to class pyrimidines, name is 5-Chloro-2-(methylthio)pyrimidine, and the molecular formula is C5H5ClN2S, Recommanded Product: 5-Chloro-2-(methylthio)pyrimidine.

Referemce:
Pyrimidine | C4H4N2 – PubChem,
Pyrimidine – Wikipedia

Venkat Ragavan, R. published the artcileSimple, fast and efficient synthesis of β-keto esters from the esters of heteroaryl compounds, its antimicrobial study and cytotoxicity towards various cancer cell lines, Safety of Ethyl pyrimidine-2-carboxylate, the main research area is heteroaryl keto ester preparation antimicrobial anticancer activity.

A series of β-keto esters were synthesized from heteroaryl esters and Et acetate using LiHMDS as base at -50 to -30 °C. Increases in yields of cross-condensed products were observed and the percentage of self-condensed product was reduced drastically by applying the suitable base (LiHMDS), solvent, and a min. amount of Et acetate. All these β-keto esters were characterized using 1H NMR, 13C NMR and mass spectral data. A plausible mechanism is also depicted to prove the formation of trans-esterified products. All the synthesized compounds were tested for their cytotoxicity towards various cancer cell lines and also tested for their antimicrobial activity towards various bacterial and fungal strains and some of them were found to have promising activity.

Bioorganic & Medicinal Chemistry Letters published new progress about Antibacterial agents. 42839-08-7 belongs to class pyrimidines, name is Ethyl pyrimidine-2-carboxylate, and the molecular formula is C7H8N2O2, Safety of Ethyl pyrimidine-2-carboxylate.

Referemce:
Pyrimidine | C4H4N2 – PubChem,
Pyrimidine – Wikipedia

Basnak, Ivan published the artcileNucleic acid components and their analogs. CXCVIII. Synthesis of uracils substituted in the position 5 or 5,6 with alkyl or cycloalkyl groups and their UV spectra, Application In Synthesis of 19030-75-2, the main research area is thiouracil oxidation; uracil cycloalkyl; Claisen condensation formate acetate; catalyst Claisen condensation; cyclization oxoalkanoate thiourea.

Li diazopropylamide, used as a base in the Claisen condensation of alkylacetates and cycloalkylacetates with EtO2CH or EtOAc gave higher yields of β-oxo esters than NaH or NaN(SiMe2)2. Cyclization of the obtained β-oxo esters with thiourea in an alk. medium gave thiouracils I (X = S), which on subsequent reaction with ClCH2CO2H were transformed into uracils I (X = O, R1 = Me, Me2CH, cyclopropyl, cyclobutyl, cyclopentyl, Pr, Me3C; R2 = Me, Me2CH, Me2CHCH2, cyclopropylmethyl, cyclopropyl).

Collection of Czechoslovak Chemical Communications published new progress about Claisen condensation. 19030-75-2 belongs to class pyrimidines, name is 5-N-Propyluracil, and the molecular formula is C7H10N2O2, Application In Synthesis of 19030-75-2.

Referemce:
Pyrimidine | C4H4N2 – PubChem,
Pyrimidine – Wikipedia

Shiragami, Makoto published the artcileFormation of diastereomers of 5,6-dihydrothymine-6-sulfonate by deamination of 5-methylcytosine with bisulfite, Safety of 5-Methylcytosinehydrochloride, the main research area is methylcytosine bisulfite deamination stereo; thymine methylcytosine deamination; cytosine bisulfite deamination kinetics.

The bisulfite-mediated deamination of 5-methylcytosine yielded a diastereomeric mixture of 5,6-dihydrothymine-6-sulfonate. One of the diastereomers was identical with the thymine-bisulfite adduct formed by treatment of thymine with bisulfite, and was assigned the structure in which the H at pos. 5 and the sulfonate at pos. 6 are trans. The rates of degradation of this adduct was stable at pH 6.9, the half life being 13 hr at 37°, whereas at pH 8.9 it degrades with a half life of 70 min. The other diastereomer, in which the 5-H and 6-SO3- are cis was stable in mildly alk. conditions. This isomer rapidly generated thymine at pH 13.8.

Chemical & Pharmaceutical Bulletin published new progress about Deamination kinetics. 58366-64-6 belongs to class pyrimidines, name is 5-Methylcytosinehydrochloride, and the molecular formula is C5H8ClN3O, Safety of 5-Methylcytosinehydrochloride.

Referemce:
Pyrimidine | C4H4N2 – PubChem,
Pyrimidine – Wikipedia

Volkov, Oleg A. published the artcileSpecies-Selective Pyrimidineamine Inhibitors of Trypanosoma brucei S-Adenosylmethionine Decarboxylase, Application of 4-Chloro-6-isopropylpyrimidin-2-amine, the main research area is pyrimidineamine preparation trypanosomicide Trypanosoma adenosylmethionine decarboxylase inhibitor.

New therapeutic options are needed for treatment of human African trypanosomiasis (HAT) caused by protozoan parasite Trypanosoma brucei. S-Adenosylmethionine decarboxylase (AdoMetDC) is an essential enzyme in the polyamine pathway of T. brucei. Previous attempts to target this enzyme were thwarted by the lack of brain penetration of the most advanced series. Herein, the authors describe a T. brucei AdoMetDC inhibitor series based on a pyrimidineamine pharmacophore that the authors identified by target-based high-throughput screening. The pyrimidineamines showed selectivity for T. brucei AdoMetDC over the human enzyme, inhibited parasite growth in whole-cell assay, and had good predicted blood-brain barrier penetration. The medicinal chem. program elucidated structure-activity relationships within the series. Features of the series that were required for binding were revealed by determining the x-ray crystal structure of TbAdoMetDC bound to one analog. The pyrimidineamine series provides a novel starting point for an anti-HAT lead optimization.

Journal of Medicinal Chemistry published new progress about Blood-brain barrier. 73576-33-7 belongs to class pyrimidines, name is 4-Chloro-6-isopropylpyrimidin-2-amine, and the molecular formula is C7H10ClN3, Application of 4-Chloro-6-isopropylpyrimidin-2-amine.

Referemce:
Pyrimidine | C4H4N2 – PubChem,
Pyrimidine – Wikipedia

Rodriguez-Jimenez, Santiago published the artcileSolvent Polarity Predictably Tunes Spin Crossover T1/2 in Isomeric Iron(II) Pyrimidine Triazoles, COA of Formula: C7H8N2O2, the main research area is solvent polarity tuning spin transition isomeric iron pyrimidyltriazole cyanato; iron pyrimidyltriazole cyanato complex solvatomorph preparation crystal structure.

Two isomeric pyrimidine-based Rdpt-type triazole ligands were made: 4-(4-methylphenyl)-3-(2-pyrimidyl)-5-phenyl-4H-1,2,4-triazole (L2pyrimidine) and 4-(4-methylphenyl)-3-(4-pyrimidyl)-5-phenyl-4H-1,2,4-triazole (L4pyrimidine). When reacted with [FeII(pyridine)4(NCE)2], where E = S, Se, or BH3, two families of mononuclear Fe(II) complexes were obtained, including six solvatomorphs, giving a total of 12 compounds: [FeII(L2pyrimidine)2(NCS)2] (1), [FeII(L2pyrimidine)2(NCSe)2] (2), 2·1.5H2O, [FeII(L2pyrimidine)2(NCBH3)2]·2CHCl3 (3·2CHCl3), 3 and 3·2H2O, [FeII(L4pyrimidine)2(NCS)2] (4), 4·H2O, [FeII(L4pyrimidine)2(NCSe)2] (5), 5·2MeOH, 5·1.5H2O, and [FeII(L4pyrimidine)2(NCBH3)2]·2.5H2O (6·2.5H2O). Single-crystal x-ray diffraction reveals that the N6-coordinated Fe(II) centers in 1, 2, 3·2CHCl3, 4, 5, and 5·2MeOH have two bidentate triazole ligands equatorially bound and two axial NCE co-ligands trans-coordinated. All structures are high spin (HS) at 100 K, except 3·2CHCl3, which is low spin (LS). Solid-state magnetic measurements show that only 3·2CHCl3 (T1/2 >400 K) and 5·1.5H2O (T1/2 = 110 K) undergo spin crossover (SCO); the others remain HS at 300-50 K. When 3·2CHCl3 is heated at 400 K it desorbs CHCl3 becoming 3, which remains HS at 400-50 K. UV-visible studies in CH2Cl2, CHCl3, Me2CO, MeCN, and CH3NO2 solutions for the BH3 analogs 3 and 6 led to a 6:1 ratio of Lnpyrimidine/Fe(II) being employed for the solution studies. These revealed SCO activity in all five solvents, with T1/2 values for the 2-pyrimidine complex (247-396 K) that were consistently higher than for the 4-pyrimidine complex (216-367 K), regardless of solvent choice, consistent with the 2-pyrimidine ring providing a stronger ligand field than the 4-pyrimidine ring. Strong correlations of solvent polarity index with the T1/2 values in those solvents are observed for each complex, enabling predictable T1/2 tuning by up to 150 K. While this correlation is tantalizing, here it may also be reflecting solvent-dependent speciation – so future tests of this concept should employ more stable complexes. Differences between solid-state (ligand field; crystal packing; solvent content) and solution (ligand field; solvation; speciation) effects on SCO are highlighted.

Inorganic Chemistry published new progress about Chemical speciation. 42839-08-7 belongs to class pyrimidines, name is Ethyl pyrimidine-2-carboxylate, and the molecular formula is C7H8N2O2, COA of Formula: C7H8N2O2.

Referemce:
Pyrimidine | C4H4N2 – PubChem,
Pyrimidine – Wikipedia

Karthikeyan, Iyyanar published the artcileAn efficient synthesis of pyrido[1,2-a]indoles through aza-Nazarov type cyclization, Recommanded Product: Ethyl pyrimidine-2-carboxylate, the main research area is pyridoindole preparation aza Nazarov cyclization.

Transition metal free Bronsted acid mediated synthesis of biol. important pyrido[1,2-a]indole scaffolds through aza-Nazarov type cyclization of readily available diaryl(2-pyridyl)methanol using formic acid was developed. This methodol. was successfully extended to synthesize atropisomers.

Chemical Communications (Cambridge, United Kingdom) published new progress about Nazarov cyclization. 42839-08-7 belongs to class pyrimidines, name is Ethyl pyrimidine-2-carboxylate, and the molecular formula is C7H8N2O2, Recommanded Product: Ethyl pyrimidine-2-carboxylate.

Referemce:
Pyrimidine | C4H4N2 – PubChem,
Pyrimidine – Wikipedia

Golmohammadi, Hassan published the artcileQuantitative structure-property relationship prediction of gas-to-chloroform partition coefficient using artificial neural network, Safety of Ethyl pyrimidine-2-carboxylate, the main research area is gas chloroform QSPR partition coefficient artificial neural network.

A quant. structure-property relationship (QSPR) study based on an artificial neural network (ANN) was carried out for the prediction of the gas-to-chloroform partition coefficients of a set of 338 compounds of a very different chem. nature. The genetic algorithm-partial least squares (GA-PLS) method was used as a variable selection tool. A PLS method was used to select the best descriptors and the selected descriptors were used as input neurons in neural network model. These descriptors are Gravitation index for all bonded pairs of atoms (G 2), Final heat of formation (ΔH f), Total hybridization components of the mol. dipole (μ h), DPSA-3 Difference in CPSAs (DPSA-3) and Structural Information content (order 1) (1SIC). The results obtained showed the ability of developed artificial neural networks to predict of gas-to-chloroform partition coefficients of various compounds Also this demonstrates the advantages of ANN.

Microchemical Journal published new progress about Formation enthalpy. 42839-08-7 belongs to class pyrimidines, name is Ethyl pyrimidine-2-carboxylate, and the molecular formula is C7H8N2O2, Safety of Ethyl pyrimidine-2-carboxylate.

Referemce:
Pyrimidine | C4H4N2 – PubChem,
Pyrimidine – Wikipedia

Krivokapic, Andre published the artcileRadicals in 5-methylcytosine induced by ionizing radiation. Electron magnetic resonance for structural and mechanistic analyses, Synthetic Route of 58366-64-6, the main research area is ionizing radiation X ray 5 methylcytosine radical.

Single crystals of 5-methylcytosine hemihydrate and 5-methylcytosine hydrochloride were X-irradiated and studied at 10 K and at higher temperatures using X- and K-band EPR, ENDOR and EIE spectroscopy. In the hemihydrate crystals, four radicals were identified at 10 K, one of them being the recently reported N1-deprotonated one-electron oxidation product. The other radicals were the 3αH radical and the C6 and C5 H-addition radicals (the 5-yl and 6-yl radicals, resp.). After irradiation at 295 K, only the 3αH and the 5-yl radicals were observed In the hydrochloride crystals, at least seven different radicals were present after irradiation at 10 K. These were the N1-deprotonated one-electron oxidation product, the 3αH radical, three different one-electron reduction products, and the 5- and 6-yl radicals. DFT calculations were used to assist in assigning the observed couplings. The 3αH and 5-yl radicals were dominant after thermal annealing to room temperature In neither crystal system did the N1-deprotonated oxidation product transform into the 3αH radical upon warming. The radical yield was significantly greater after irradiation at 300 K compared to that after irradiation at 10 K followed by warming to 300 K and was also considerably greater in the hydrochloride crystals than in the hemihydrate crystals.

Radiation Research published new progress about Ionizing radiation. 58366-64-6 belongs to class pyrimidines, name is 5-Methylcytosinehydrochloride, and the molecular formula is C5H8ClN3O, Synthetic Route of 58366-64-6.

Referemce:
Pyrimidine | C4H4N2 – PubChem,
Pyrimidine – Wikipedia